6-(2,1,3-benzothiadiazol-5-yl)-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(2,1,3-benzothiadiazol-5-yl)-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-(2,1,3-benzothiadiazol-5-yl)-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-(2,1,3-benzothiadiazol-5-yl)-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-(2,1,3-benzothiadiazol-5-yl)-2-methylsulfanylpyrimidin-4-olate Traditional Name: 2-(methylthio)-6-piazthiol-5-yl-pyrimidin-4-olate Formula: C11H7N4OS2- MolecularWeight: 275.32948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)[O-])C2=CC3=NSN=C3C=C2

Isomeric SMILES

CSC1=NC(=CC(=N1)[O-])C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C11H8N4OS2/c1-17-11-12-8(5-10(16)13-11)6-2-3-7-9(4-6)15-18-14-7/h2-5H,1H3,(H,12,13,16)/p-1